Spektraris NMR
Salpichrolide J
Common Name: Salpichrolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O5/c1-16(28-14-24(2,30)25(3,33-28)15-31-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(32-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28-/m0/s1
InChIKey: InChIKey=PFIXEQLCBBLTGR-FWBBHSPHSA-N
Formula: C28H34O5
Molecular Weight: 450.567615
Exact Mass: 450.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tettamanzi, M.C., Veleiro, A.S., de la Fuente, J.R., Burton, G. J Nat Prod (2001) 64, 783-6
Species:
Notes: Family : Steroids, Type : Abeo-Ergostanes, Group : Withanolides; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 202.4 |
| 2 (CH) | 128.9 |
| 3 (CH) | 142.5 |
| 4 (CH2) | 33.6 |
| 5 (C) | 64.7 |
| 6 (CH) | 59.1 |
| 7 (CH2) | 30.6 |
| 8 (CH) | 33.3 |
| 9 (CH) | 36.4 |
| 10 (C) | 48.8 |
| 11 (CH2) | 25.4 |
| 12 (CH2) | 30.4 |
| 13 (C) | 138 |
| 14 (C) | 137 |
| 15 (CH) | 126.1 |
| 16 (CH) | 126.4 |
| 17 (C) | 139.4 |
| 18 (CH) | 128.8 |
| 19 (CH3) | 14.9 |
| 20 (CH) | 42.9 |
| 21 (CH3) | 15.7 |
| 22 (C) | 111.9 |
| 23 (CH2) | 51.2 |
| 24 (C) | 76.3 |
| 25 (C) | 86.3 |
| 26 (CH2) | 70.6 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 26.5 |
